USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A2963 SER OG : rot 180:sc= 0 USER MOD Single : A2971 SER OG : rot 95:sc= 0.23 USER MOD Single : A2986 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A2987 ASN : amide:sc= -0.0149 K(o=-0.015,f=-0.63) USER MOD Single : A2988 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.373 6.180 -11.447 1.00 0.00 N ATOM 82 CA ASP A2957 -7.593 6.103 -12.900 1.00 0.00 C ATOM 83 C ASP A2957 -8.494 7.267 -13.383 1.00 0.00 C ATOM 84 O ASP A2957 -9.498 7.574 -12.727 1.00 0.00 O ATOM 85 CB ASP A2957 -8.212 4.721 -13.248 1.00 0.00 C ATOM 86 CG ASP A2957 -8.205 4.421 -14.753 1.00 0.00 C ATOM 87 OD1 ASP A2957 -7.139 4.054 -15.288 1.00 0.00 O ATOM 88 OD2 ASP A2957 -9.248 4.566 -15.413 1.00 0.00 O ATOM 0 HA ASP A2957 -6.639 6.201 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -7.660 3.940 -12.725 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -9.238 4.686 -12.881 1.00 0.00 H new ATOM 93 N PRO A2958 -8.145 7.950 -14.537 1.00 0.00 N ATOM 94 CA PRO A2958 -8.938 9.080 -15.077 1.00 0.00 C ATOM 95 C PRO A2958 -10.252 8.637 -15.771 1.00 0.00 C ATOM 96 O PRO A2958 -11.188 9.428 -15.882 1.00 0.00 O ATOM 97 CB PRO A2958 -7.963 9.758 -16.078 1.00 0.00 C ATOM 98 CG PRO A2958 -7.117 8.629 -16.572 1.00 0.00 C ATOM 99 CD PRO A2958 -6.939 7.704 -15.378 1.00 0.00 C ATOM 0 HA PRO A2958 -9.281 9.746 -14.285 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -8.500 10.242 -16.894 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -7.361 10.526 -15.592 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.599 8.111 -17.402 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.155 8.989 -16.936 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.877 6.661 -15.689 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.022 7.929 -14.834 1.00 0.00 H new ATOM 107 N LEU A2959 -10.307 7.376 -16.246 1.00 0.00 N ATOM 108 CA LEU A2959 -11.507 6.797 -16.908 1.00 0.00 C ATOM 109 C LEU A2959 -12.186 5.772 -15.970 1.00 0.00 C ATOM 110 O LEU A2959 -12.852 4.834 -16.429 1.00 0.00 O ATOM 111 CB LEU A2959 -11.109 6.148 -18.282 1.00 0.00 C ATOM 112 CG LEU A2959 -11.273 7.041 -19.557 1.00 0.00 C ATOM 113 CD1 LEU A2959 -12.757 7.421 -19.794 1.00 0.00 C ATOM 114 CD2 LEU A2959 -10.369 8.296 -19.502 1.00 0.00 C ATOM 0 H LEU A2959 -9.524 6.726 -16.184 1.00 0.00 H new ATOM 0 HA LEU A2959 -12.225 7.591 -17.112 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -10.068 5.832 -18.220 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -11.708 5.247 -18.419 1.00 0.00 H new ATOM 0 HG LEU A2959 -10.945 6.447 -20.410 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.836 8.041 -20.687 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -13.348 6.515 -19.928 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -13.133 7.975 -18.934 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -10.513 8.888 -20.406 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -10.631 8.895 -18.630 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -9.325 7.990 -19.432 1.00 0.00 H new ATOM 126 N ALA A2960 -12.035 5.991 -14.647 1.00 0.00 N ATOM 127 CA ALA A2960 -12.616 5.120 -13.603 1.00 0.00 C ATOM 128 C ALA A2960 -14.147 5.283 -13.485 1.00 0.00 C ATOM 129 O ALA A2960 -14.813 4.451 -12.863 1.00 0.00 O ATOM 130 CB ALA A2960 -11.949 5.405 -12.246 1.00 0.00 C ATOM 0 H ALA A2960 -11.506 6.778 -14.272 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.423 4.089 -13.899 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -12.384 4.758 -11.484 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.879 5.211 -12.319 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -12.111 6.448 -11.973 1.00 0.00 H new ATOM 136 N GLY A2961 -14.690 6.349 -14.104 1.00 0.00 N ATOM 137 CA GLY A2961 -16.110 6.688 -13.980 1.00 0.00 C ATOM 138 C GLY A2961 -16.378 7.503 -12.723 1.00 0.00 C ATOM 139 O GLY A2961 -17.380 7.303 -12.036 1.00 0.00 O ATOM 0 H GLY A2961 -14.160 6.989 -14.696 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -16.429 7.252 -14.856 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.703 5.774 -13.956 1.00 0.00 H new ATOM 143 N ILE A2962 -15.446 8.420 -12.428 1.00 0.00 N ATOM 144 CA ILE A2962 -15.475 9.283 -11.236 1.00 0.00 C ATOM 145 C ILE A2962 -15.390 10.754 -11.653 1.00 0.00 C ATOM 146 O ILE A2962 -15.120 11.071 -12.816 1.00 0.00 O ATOM 147 CB ILE A2962 -14.276 8.955 -10.264 1.00 0.00 C ATOM 148 CG1 ILE A2962 -12.892 9.140 -10.987 1.00 0.00 C ATOM 149 CG2 ILE A2962 -14.416 7.529 -9.684 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.681 8.942 -10.091 1.00 0.00 C ATOM 0 H ILE A2962 -14.634 8.587 -13.022 1.00 0.00 H new ATOM 0 HA ILE A2962 -16.413 9.096 -10.713 1.00 0.00 H new ATOM 0 HB ILE A2962 -14.311 9.662 -9.435 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -12.833 8.436 -11.817 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.851 10.141 -11.415 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -13.579 7.324 -9.017 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -15.350 7.452 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -14.418 6.804 -10.498 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.771 9.089 -10.672 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.711 9.664 -9.275 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -11.692 7.932 -9.682 1.00 0.00 H new ATOM 162 N SER A2963 -15.599 11.641 -10.675 1.00 0.00 N ATOM 163 CA SER A2963 -15.478 13.094 -10.855 1.00 0.00 C ATOM 164 C SER A2963 -14.034 13.523 -10.536 1.00 0.00 C ATOM 165 O SER A2963 -13.641 13.598 -9.359 1.00 0.00 O ATOM 166 CB SER A2963 -16.494 13.823 -9.947 1.00 0.00 C ATOM 167 OG SER A2963 -17.819 13.394 -10.225 1.00 0.00 O ATOM 0 H SER A2963 -15.859 11.370 -9.727 1.00 0.00 H new ATOM 0 HA SER A2963 -15.701 13.363 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A2963 -16.257 13.630 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A2963 -16.416 14.900 -10.098 1.00 0.00 H new ATOM 0 HG SER A2963 -18.446 13.866 -9.638 1.00 0.00 H new ATOM 173 N LEU A2964 -13.241 13.730 -11.598 1.00 0.00 N ATOM 174 CA LEU A2964 -11.835 14.148 -11.490 1.00 0.00 C ATOM 175 C LEU A2964 -11.730 15.626 -11.046 1.00 0.00 C ATOM 176 O LEU A2964 -12.527 16.459 -11.497 1.00 0.00 O ATOM 177 CB LEU A2964 -11.123 13.971 -12.856 1.00 0.00 C ATOM 178 CG LEU A2964 -11.041 12.517 -13.413 1.00 0.00 C ATOM 179 CD1 LEU A2964 -10.374 12.499 -14.807 1.00 0.00 C ATOM 180 CD2 LEU A2964 -10.307 11.573 -12.427 1.00 0.00 C ATOM 0 H LEU A2964 -13.558 13.612 -12.560 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.353 13.522 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -11.637 14.590 -13.592 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -10.109 14.360 -12.765 1.00 0.00 H new ATOM 0 HG LEU A2964 -12.060 12.145 -13.522 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -10.328 11.474 -15.175 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -10.958 13.107 -15.498 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -9.365 12.903 -14.733 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -10.268 10.568 -12.847 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -9.293 11.937 -12.262 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -10.843 11.549 -11.478 1.00 0.00 H new ATOM 192 N PRO A2965 -10.762 15.977 -10.147 1.00 0.00 N ATOM 193 CA PRO A2965 -10.433 17.390 -9.857 1.00 0.00 C ATOM 194 C PRO A2965 -9.562 18.016 -10.974 1.00 0.00 C ATOM 195 O PRO A2965 -9.077 17.312 -11.870 1.00 0.00 O ATOM 196 CB PRO A2965 -9.672 17.292 -8.515 1.00 0.00 C ATOM 197 CG PRO A2965 -8.974 15.968 -8.592 1.00 0.00 C ATOM 198 CD PRO A2965 -9.944 15.044 -9.311 1.00 0.00 C ATOM 0 HA PRO A2965 -11.309 18.036 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -8.963 18.111 -8.397 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -10.353 17.336 -7.665 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.033 16.051 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -8.735 15.591 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.420 14.311 -9.924 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.564 14.487 -8.608 1.00 0.00 H new ATOM 206 N GLU A2966 -9.383 19.345 -10.913 1.00 0.00 N ATOM 207 CA GLU A2966 -8.496 20.066 -11.838 1.00 0.00 C ATOM 208 C GLU A2966 -7.028 19.750 -11.479 1.00 0.00 C ATOM 209 O GLU A2966 -6.680 19.669 -10.297 1.00 0.00 O ATOM 210 CB GLU A2966 -8.776 21.593 -11.771 1.00 0.00 C ATOM 211 CG GLU A2966 -7.878 22.469 -12.676 1.00 0.00 C ATOM 212 CD GLU A2966 -7.984 22.114 -14.169 1.00 0.00 C ATOM 213 OE1 GLU A2966 -9.024 22.426 -14.781 1.00 0.00 O ATOM 214 OE2 GLU A2966 -7.037 21.510 -14.729 1.00 0.00 O ATOM 0 H GLU A2966 -9.844 19.944 -10.228 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.685 19.741 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -9.817 21.767 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -8.656 21.923 -10.739 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -8.148 23.516 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -6.841 22.363 -12.358 1.00 0.00 H new ATOM 221 N GLY A2967 -6.178 19.559 -12.505 1.00 0.00 N ATOM 222 CA GLY A2967 -4.780 19.178 -12.288 1.00 0.00 C ATOM 223 C GLY A2967 -4.623 17.765 -11.731 1.00 0.00 C ATOM 224 O GLY A2967 -3.653 17.473 -11.018 1.00 0.00 O ATOM 0 H GLY A2967 -6.438 19.663 -13.486 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.239 19.252 -13.231 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -4.319 19.887 -11.600 1.00 0.00 H new ATOM 228 N VAL A2968 -5.600 16.895 -12.047 1.00 0.00 N ATOM 229 CA VAL A2968 -5.554 15.476 -11.681 1.00 0.00 C ATOM 230 C VAL A2968 -4.459 14.758 -12.496 1.00 0.00 C ATOM 231 O VAL A2968 -4.332 14.951 -13.716 1.00 0.00 O ATOM 232 CB VAL A2968 -6.950 14.760 -11.887 1.00 0.00 C ATOM 233 CG1 VAL A2968 -7.434 14.834 -13.358 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.917 13.293 -11.372 1.00 0.00 C ATOM 0 H VAL A2968 -6.440 17.160 -12.562 1.00 0.00 H new ATOM 0 HA VAL A2968 -5.316 15.418 -10.619 1.00 0.00 H new ATOM 0 HB VAL A2968 -7.678 15.306 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -8.396 14.329 -13.450 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -7.542 15.878 -13.653 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -6.705 14.347 -14.006 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.891 12.830 -11.529 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -6.158 12.733 -11.918 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -6.679 13.286 -10.308 1.00 0.00 H new ATOM 244 N ASP A2969 -3.645 13.976 -11.792 1.00 0.00 N ATOM 245 CA ASP A2969 -2.668 13.071 -12.392 1.00 0.00 C ATOM 246 C ASP A2969 -2.595 11.809 -11.513 1.00 0.00 C ATOM 247 O ASP A2969 -2.100 11.874 -10.380 1.00 0.00 O ATOM 248 CB ASP A2969 -1.280 13.748 -12.552 1.00 0.00 C ATOM 249 CG ASP A2969 -0.166 12.761 -12.947 1.00 0.00 C ATOM 250 OD1 ASP A2969 -0.279 12.114 -14.008 1.00 0.00 O ATOM 251 OD2 ASP A2969 0.811 12.605 -12.180 1.00 0.00 O ATOM 0 H ASP A2969 -3.645 13.953 -10.772 1.00 0.00 H new ATOM 0 HA ASP A2969 -2.981 12.800 -13.400 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -1.349 14.530 -13.309 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -1.010 14.235 -11.615 1.00 0.00 H new ATOM 256 N PRO A2970 -3.099 10.633 -12.022 1.00 0.00 N ATOM 257 CA PRO A2970 -3.180 9.382 -11.235 1.00 0.00 C ATOM 258 C PRO A2970 -1.808 8.766 -10.899 1.00 0.00 C ATOM 259 O PRO A2970 -1.749 7.848 -10.087 1.00 0.00 O ATOM 260 CB PRO A2970 -4.014 8.448 -12.148 1.00 0.00 C ATOM 261 CG PRO A2970 -3.719 8.932 -13.528 1.00 0.00 C ATOM 262 CD PRO A2970 -3.628 10.435 -13.403 1.00 0.00 C ATOM 0 HA PRO A2970 -3.622 9.553 -10.254 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.725 7.405 -12.021 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.078 8.514 -11.921 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.787 8.510 -13.904 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.505 8.641 -14.225 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -2.963 10.862 -14.154 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.601 10.909 -13.533 1.00 0.00 H new ATOM 270 N SER A2971 -0.716 9.284 -11.512 1.00 0.00 N ATOM 271 CA SER A2971 0.644 8.762 -11.296 1.00 0.00 C ATOM 272 C SER A2971 1.064 8.942 -9.823 1.00 0.00 C ATOM 273 O SER A2971 1.373 7.953 -9.159 1.00 0.00 O ATOM 274 CB SER A2971 1.645 9.447 -12.249 1.00 0.00 C ATOM 275 OG SER A2971 1.184 9.395 -13.592 1.00 0.00 O ATOM 0 H SER A2971 -0.758 10.068 -12.163 1.00 0.00 H new ATOM 0 HA SER A2971 0.647 7.695 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.787 10.485 -11.949 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.617 8.958 -12.175 1.00 0.00 H new ATOM 0 HG SER A2971 0.705 10.223 -13.806 1.00 0.00 H new ATOM 281 N PHE A2972 1.026 10.196 -9.303 1.00 0.00 N ATOM 282 CA PHE A2972 1.395 10.472 -7.887 1.00 0.00 C ATOM 283 C PHE A2972 0.272 10.030 -6.928 1.00 0.00 C ATOM 284 O PHE A2972 0.537 9.703 -5.778 1.00 0.00 O ATOM 285 CB PHE A2972 1.787 11.969 -7.654 1.00 0.00 C ATOM 286 CG PHE A2972 0.672 13.008 -7.817 1.00 0.00 C ATOM 287 CD1 PHE A2972 0.418 13.606 -9.047 1.00 0.00 C ATOM 288 CD2 PHE A2972 -0.100 13.415 -6.723 1.00 0.00 C ATOM 289 CE1 PHE A2972 -0.582 14.550 -9.186 1.00 0.00 C ATOM 290 CE2 PHE A2972 -1.094 14.359 -6.869 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.330 14.934 -8.097 1.00 0.00 C ATOM 0 H PHE A2972 0.748 11.022 -9.833 1.00 0.00 H new ATOM 0 HA PHE A2972 2.283 9.879 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.193 12.061 -6.647 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.591 12.222 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A2972 1.011 13.329 -9.906 1.00 0.00 H new ATOM 0 HD2 PHE A2972 0.086 12.983 -5.751 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -0.777 14.988 -10.154 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -1.690 14.649 -6.016 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.100 15.684 -8.205 1.00 0.00 H new ATOM 301 N LEU A2973 -0.984 10.010 -7.418 1.00 0.00 N ATOM 302 CA LEU A2973 -2.142 9.561 -6.613 1.00 0.00 C ATOM 303 C LEU A2973 -2.077 8.035 -6.333 1.00 0.00 C ATOM 304 O LEU A2973 -2.639 7.558 -5.341 1.00 0.00 O ATOM 305 CB LEU A2973 -3.467 9.938 -7.330 1.00 0.00 C ATOM 306 CG LEU A2973 -3.732 11.469 -7.535 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.001 11.728 -8.383 1.00 0.00 C ATOM 308 CD2 LEU A2973 -3.815 12.221 -6.183 1.00 0.00 C ATOM 0 H LEU A2973 -1.224 10.299 -8.366 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.108 10.070 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.477 9.455 -8.307 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.296 9.520 -6.759 1.00 0.00 H new ATOM 0 HG LEU A2973 -2.878 11.862 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.147 12.802 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -4.883 11.268 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -5.868 11.296 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -4.000 13.280 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -4.629 11.809 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -2.875 12.105 -5.644 1.00 0.00 H new ATOM 320 N ALA A2974 -1.402 7.285 -7.237 1.00 0.00 N ATOM 321 CA ALA A2974 -1.195 5.824 -7.105 1.00 0.00 C ATOM 322 C ALA A2974 0.162 5.497 -6.448 1.00 0.00 C ATOM 323 O ALA A2974 0.264 4.541 -5.668 1.00 0.00 O ATOM 324 CB ALA A2974 -1.291 5.150 -8.488 1.00 0.00 C ATOM 0 H ALA A2974 -0.985 7.678 -8.081 1.00 0.00 H new ATOM 0 HA ALA A2974 -1.979 5.434 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.137 4.076 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.277 5.335 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -0.527 5.562 -9.147 1.00 0.00 H new ATOM 330 N ALA A2975 1.196 6.294 -6.789 1.00 0.00 N ATOM 331 CA ALA A2975 2.598 6.044 -6.359 1.00 0.00 C ATOM 332 C ALA A2975 2.832 6.462 -4.903 1.00 0.00 C ATOM 333 O ALA A2975 3.674 5.882 -4.211 1.00 0.00 O ATOM 334 CB ALA A2975 3.589 6.774 -7.284 1.00 0.00 C ATOM 0 H ALA A2975 1.089 7.127 -7.368 1.00 0.00 H new ATOM 0 HA ALA A2975 2.770 4.970 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.609 6.578 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.465 6.415 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.396 7.846 -7.250 1.00 0.00 H new ATOM 340 N LEU A2976 2.089 7.479 -4.451 1.00 0.00 N ATOM 341 CA LEU A2976 2.205 8.033 -3.089 1.00 0.00 C ATOM 342 C LEU A2976 1.029 7.539 -2.210 1.00 0.00 C ATOM 343 O LEU A2976 -0.041 7.229 -2.754 1.00 0.00 O ATOM 344 CB LEU A2976 2.231 9.582 -3.166 1.00 0.00 C ATOM 345 CG LEU A2976 3.383 10.219 -4.008 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.261 11.762 -4.050 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.773 9.780 -3.482 1.00 0.00 C ATOM 0 H LEU A2976 1.384 7.947 -5.021 1.00 0.00 H new ATOM 0 HA LEU A2976 3.132 7.689 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.280 9.919 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.294 9.973 -2.151 1.00 0.00 H new ATOM 0 HG LEU A2976 3.286 9.852 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.077 12.175 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.308 12.040 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.312 12.159 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.553 10.240 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A2976 4.886 10.096 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.859 8.695 -3.542 1.00 0.00 H new ATOM 359 N PRO A2977 1.209 7.427 -0.843 1.00 0.00 N ATOM 360 CA PRO A2977 0.120 7.003 0.089 1.00 0.00 C ATOM 361 C PRO A2977 -1.061 8.008 0.142 1.00 0.00 C ATOM 362 O PRO A2977 -0.995 9.103 -0.424 1.00 0.00 O ATOM 363 CB PRO A2977 0.837 6.874 1.462 1.00 0.00 C ATOM 364 CG PRO A2977 2.042 7.762 1.345 1.00 0.00 C ATOM 365 CD PRO A2977 2.482 7.678 -0.104 1.00 0.00 C ATOM 0 HA PRO A2977 -0.350 6.074 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.189 7.191 2.279 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.123 5.842 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A2977 1.799 8.788 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A2977 2.837 7.432 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A2977 2.961 8.601 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.201 6.873 -0.259 1.00 0.00 H new ATOM 373 N ASP A2978 -2.132 7.631 0.853 1.00 0.00 N ATOM 374 CA ASP A2978 -3.402 8.385 0.852 1.00 0.00 C ATOM 375 C ASP A2978 -3.300 9.719 1.623 1.00 0.00 C ATOM 376 O ASP A2978 -4.118 10.610 1.410 1.00 0.00 O ATOM 377 CB ASP A2978 -4.557 7.517 1.418 1.00 0.00 C ATOM 378 CG ASP A2978 -4.422 7.229 2.926 1.00 0.00 C ATOM 379 OD1 ASP A2978 -3.646 6.325 3.304 1.00 0.00 O ATOM 380 OD2 ASP A2978 -5.092 7.912 3.737 1.00 0.00 O ATOM 0 H ASP A2978 -2.147 6.800 1.444 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.620 8.632 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -5.505 8.023 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.591 6.572 0.876 1.00 0.00 H new ATOM 385 N ASP A2979 -2.290 9.840 2.502 1.00 0.00 N ATOM 386 CA ASP A2979 -2.153 10.978 3.444 1.00 0.00 C ATOM 387 C ASP A2979 -1.824 12.289 2.719 1.00 0.00 C ATOM 388 O ASP A2979 -2.535 13.291 2.867 1.00 0.00 O ATOM 389 CB ASP A2979 -1.052 10.662 4.487 1.00 0.00 C ATOM 390 CG ASP A2979 -1.295 9.342 5.229 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.961 8.279 4.671 1.00 0.00 O ATOM 392 OD2 ASP A2979 -1.830 9.359 6.360 1.00 0.00 O ATOM 0 H ASP A2979 -1.541 9.153 2.584 1.00 0.00 H new ATOM 0 HA ASP A2979 -3.112 11.112 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -0.085 10.619 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -1.000 11.476 5.211 1.00 0.00 H new ATOM 397 N ILE A2980 -0.747 12.279 1.921 1.00 0.00 N ATOM 398 CA ILE A2980 -0.342 13.471 1.151 1.00 0.00 C ATOM 399 C ILE A2980 -1.211 13.619 -0.106 1.00 0.00 C ATOM 400 O ILE A2980 -1.332 14.712 -0.636 1.00 0.00 O ATOM 401 CB ILE A2980 1.188 13.507 0.754 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.534 12.529 -0.409 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.085 13.238 1.985 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.396 11.070 -0.054 1.00 0.00 C ATOM 0 H ILE A2980 -0.143 11.468 1.790 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.498 14.315 1.823 1.00 0.00 H new ATOM 0 HB ILE A2980 1.390 14.513 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.885 12.748 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.557 12.717 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.133 13.268 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.902 14.000 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A2980 1.853 12.255 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.655 10.459 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.065 10.832 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.367 10.863 0.241 1.00 0.00 H new ATOM 416 N ARG A2981 -1.813 12.507 -0.584 1.00 0.00 N ATOM 417 CA ARG A2981 -2.622 12.526 -1.819 1.00 0.00 C ATOM 418 C ARG A2981 -3.992 13.193 -1.541 1.00 0.00 C ATOM 419 O ARG A2981 -4.563 13.852 -2.425 1.00 0.00 O ATOM 420 CB ARG A2981 -2.702 11.084 -2.466 1.00 0.00 C ATOM 421 CG ARG A2981 -3.984 10.232 -2.226 1.00 0.00 C ATOM 422 CD ARG A2981 -5.110 10.529 -3.244 1.00 0.00 C ATOM 423 NE ARG A2981 -6.232 9.577 -3.153 1.00 0.00 N ATOM 424 CZ ARG A2981 -6.935 9.116 -4.206 1.00 0.00 C ATOM 425 NH1 ARG A2981 -6.626 9.495 -5.444 1.00 0.00 N ATOM 426 NH2 ARG A2981 -7.938 8.272 -4.017 1.00 0.00 N ATOM 0 H ARG A2981 -1.754 11.593 -0.136 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.139 13.142 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.575 11.196 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -1.850 10.510 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.725 9.174 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -4.355 10.420 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.484 11.540 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -4.698 10.501 -4.253 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.495 9.243 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -5.851 10.140 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -7.164 9.141 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.179 7.970 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -8.469 7.924 -4.815 1.00 0.00 H new ATOM 440 N ARG A2982 -4.510 13.032 -0.305 1.00 0.00 N ATOM 441 CA ARG A2982 -5.708 13.766 0.150 1.00 0.00 C ATOM 442 C ARG A2982 -5.340 15.218 0.506 1.00 0.00 C ATOM 443 O ARG A2982 -6.177 16.116 0.337 1.00 0.00 O ATOM 444 CB ARG A2982 -6.424 13.068 1.345 1.00 0.00 C ATOM 445 CG ARG A2982 -5.658 13.075 2.684 1.00 0.00 C ATOM 446 CD ARG A2982 -6.393 12.328 3.804 1.00 0.00 C ATOM 447 NE ARG A2982 -6.562 10.894 3.489 1.00 0.00 N ATOM 448 CZ ARG A2982 -7.742 10.262 3.352 1.00 0.00 C ATOM 449 NH1 ARG A2982 -8.882 10.938 3.356 1.00 0.00 N ATOM 450 NH2 ARG A2982 -7.767 8.955 3.178 1.00 0.00 N ATOM 0 H ARG A2982 -4.118 12.401 0.394 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.417 13.768 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.389 13.551 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.626 12.033 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.677 12.622 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.490 14.106 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -5.837 12.432 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -7.371 12.783 3.963 1.00 0.00 H new ATOM 0 HE ARG A2982 -5.716 10.338 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -8.873 11.952 3.464 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -9.768 10.444 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -6.894 8.428 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -8.659 8.471 3.074 1.00 0.00 H new ATOM 464 N GLU A2983 -4.085 15.457 1.000 1.00 0.00 N ATOM 465 CA GLU A2983 -3.635 16.825 1.346 1.00 0.00 C ATOM 466 C GLU A2983 -3.488 17.677 0.070 1.00 0.00 C ATOM 467 O GLU A2983 -3.871 18.844 0.064 1.00 0.00 O ATOM 468 CB GLU A2983 -2.318 16.843 2.212 1.00 0.00 C ATOM 469 CG GLU A2983 -1.001 17.162 1.462 1.00 0.00 C ATOM 470 CD GLU A2983 0.200 17.372 2.395 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.811 16.384 2.840 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.547 18.534 2.681 1.00 0.00 O ATOM 0 H GLU A2983 -3.388 14.730 1.161 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.407 17.267 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.443 17.577 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.211 15.869 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -0.778 16.347 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.144 18.059 0.859 1.00 0.00 H new ATOM 479 N VAL A2984 -2.966 17.075 -1.022 1.00 0.00 N ATOM 480 CA VAL A2984 -2.795 17.781 -2.309 1.00 0.00 C ATOM 481 C VAL A2984 -4.169 18.004 -2.971 1.00 0.00 C ATOM 482 O VAL A2984 -4.379 19.013 -3.624 1.00 0.00 O ATOM 483 CB VAL A2984 -1.794 17.036 -3.287 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.379 16.905 -2.666 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.338 15.668 -3.742 1.00 0.00 C ATOM 0 H VAL A2984 -2.657 16.103 -1.037 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.342 18.749 -2.097 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.705 17.656 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.279 16.389 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.020 17.898 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.440 16.336 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.619 15.194 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.498 15.032 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.283 15.808 -4.267 1.00 0.00 H new ATOM 495 N LEU A2985 -5.114 17.070 -2.744 1.00 0.00 N ATOM 496 CA LEU A2985 -6.508 17.197 -3.229 1.00 0.00 C ATOM 497 C LEU A2985 -7.197 18.467 -2.657 1.00 0.00 C ATOM 498 O LEU A2985 -7.749 19.285 -3.414 1.00 0.00 O ATOM 499 CB LEU A2985 -7.302 15.923 -2.847 1.00 0.00 C ATOM 500 CG LEU A2985 -8.798 15.854 -3.302 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.933 15.951 -4.839 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.479 14.573 -2.763 1.00 0.00 C ATOM 0 H LEU A2985 -4.937 16.211 -2.223 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.491 17.302 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.781 15.061 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.273 15.818 -1.762 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.311 16.717 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.986 15.899 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -8.514 16.897 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -8.395 15.125 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.518 14.547 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.956 13.695 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.443 14.573 -1.674 1.00 0.00 H new ATOM 514 N GLN A2986 -7.124 18.636 -1.320 1.00 0.00 N ATOM 515 CA GLN A2986 -7.780 19.760 -0.615 1.00 0.00 C ATOM 516 C GLN A2986 -7.000 21.084 -0.794 1.00 0.00 C ATOM 517 O GLN A2986 -7.603 22.142 -0.990 1.00 0.00 O ATOM 518 CB GLN A2986 -7.958 19.436 0.897 1.00 0.00 C ATOM 519 CG GLN A2986 -6.644 19.152 1.660 1.00 0.00 C ATOM 520 CD GLN A2986 -6.799 19.004 3.175 1.00 0.00 C ATOM 521 OE1 GLN A2986 -7.844 18.591 3.677 1.00 0.00 O ATOM 522 NE2 GLN A2986 -5.744 19.321 3.909 1.00 0.00 N ATOM 0 H GLN A2986 -6.614 18.004 -0.703 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.765 19.892 -1.063 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -8.466 20.273 1.376 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.612 18.569 0.994 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -6.201 18.238 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -5.942 19.961 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -4.893 19.660 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -5.782 19.226 4.924 1.00 0.00 H new ATOM 531 N ASN A2987 -5.659 21.018 -0.747 1.00 0.00 N ATOM 532 CA ASN A2987 -4.797 22.225 -0.782 1.00 0.00 C ATOM 533 C ASN A2987 -4.708 22.818 -2.197 1.00 0.00 C ATOM 534 O ASN A2987 -4.476 24.017 -2.344 1.00 0.00 O ATOM 535 CB ASN A2987 -3.386 21.925 -0.211 1.00 0.00 C ATOM 536 CG ASN A2987 -3.377 21.602 1.296 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.226 22.068 2.058 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.418 20.794 1.741 1.00 0.00 N ATOM 0 H ASN A2987 -5.141 20.141 -0.684 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.264 22.975 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -2.956 21.084 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.741 22.785 -0.392 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.376 20.549 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.725 20.419 1.093 1.00 0.00 H new ATOM 545 N GLN A2988 -4.877 21.982 -3.238 1.00 0.00 N ATOM 546 CA GLN A2988 -4.886 22.458 -4.638 1.00 0.00 C ATOM 547 C GLN A2988 -6.279 22.969 -5.038 1.00 0.00 C ATOM 548 O GLN A2988 -6.411 24.110 -5.467 1.00 0.00 O ATOM 549 CB GLN A2988 -4.407 21.347 -5.620 1.00 0.00 C ATOM 550 CG GLN A2988 -2.913 20.983 -5.517 1.00 0.00 C ATOM 551 CD GLN A2988 -1.996 22.166 -5.805 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.611 22.410 -6.952 1.00 0.00 O ATOM 553 NE2 GLN A2988 -1.666 22.928 -4.786 1.00 0.00 N ATOM 0 H GLN A2988 -5.009 20.975 -3.139 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.184 23.289 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.997 20.448 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.617 21.670 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.704 20.602 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.691 20.178 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -2.000 22.700 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -1.076 23.747 -4.932 1.00 0.00 H new ATOM 562 N LEU A2989 -7.319 22.111 -4.902 1.00 0.00 N ATOM 563 CA LEU A2989 -8.672 22.405 -5.436 1.00 0.00 C ATOM 564 C LEU A2989 -9.667 22.783 -4.338 1.00 0.00 C ATOM 565 O LEU A2989 -10.566 23.597 -4.572 1.00 0.00 O ATOM 566 CB LEU A2989 -9.237 21.202 -6.248 1.00 0.00 C ATOM 567 CG LEU A2989 -8.336 20.659 -7.412 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.672 21.811 -8.211 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.289 19.631 -6.893 1.00 0.00 C ATOM 0 H LEU A2989 -7.247 21.211 -4.428 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.551 23.264 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.430 20.383 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.198 21.496 -6.669 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.988 20.129 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.057 21.394 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.445 22.446 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.047 22.404 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.683 19.276 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.646 20.109 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.804 18.787 -6.434 1.00 0.00 H new ATOM 581 N GLY A2990 -9.536 22.151 -3.160 1.00 0.00 N ATOM 582 CA GLY A2990 -10.504 22.333 -2.073 1.00 0.00 C ATOM 583 C GLY A2990 -11.861 21.707 -2.364 1.00 0.00 C ATOM 584 O GLY A2990 -12.852 22.034 -1.701 1.00 0.00 O ATOM 0 H GLY A2990 -8.772 21.513 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.100 21.898 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.636 23.399 -1.888 1.00 0.00 H new ATOM 588 N ILE A2991 -11.893 20.801 -3.356 1.00 0.00 N ATOM 589 CA ILE A2991 -13.099 20.057 -3.736 1.00 0.00 C ATOM 590 C ILE A2991 -13.348 18.961 -2.680 1.00 0.00 C ATOM 591 O ILE A2991 -12.417 18.229 -2.312 1.00 0.00 O ATOM 592 CB ILE A2991 -12.963 19.475 -5.221 1.00 0.00 C ATOM 593 CG1 ILE A2991 -14.310 18.832 -5.759 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.768 18.487 -5.351 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.585 17.373 -5.372 1.00 0.00 C ATOM 0 H ILE A2991 -11.076 20.565 -3.919 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.966 20.717 -3.755 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.753 20.332 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -15.142 19.440 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.308 18.900 -6.847 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.712 18.116 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.841 19.003 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.913 17.649 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -15.535 17.055 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.784 16.739 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.632 17.287 -4.286 1.00 0.00 H new ATOM 607 N ARG A2992 -14.592 18.891 -2.170 1.00 0.00 N ATOM 608 CA ARG A2992 -14.959 17.953 -1.097 1.00 0.00 C ATOM 609 C ARG A2992 -15.237 16.536 -1.671 1.00 0.00 C ATOM 610 O ARG A2992 -16.091 16.378 -2.551 1.00 0.00 O ATOM 611 CB ARG A2992 -16.185 18.484 -0.288 1.00 0.00 C ATOM 612 CG ARG A2992 -17.469 18.721 -1.108 1.00 0.00 C ATOM 613 CD ARG A2992 -18.685 19.050 -0.234 1.00 0.00 C ATOM 614 NE ARG A2992 -18.508 20.258 0.590 1.00 0.00 N ATOM 615 CZ ARG A2992 -19.267 20.568 1.655 1.00 0.00 C ATOM 616 NH1 ARG A2992 -20.272 19.780 2.032 1.00 0.00 N ATOM 617 NH2 ARG A2992 -19.033 21.680 2.328 1.00 0.00 N ATOM 0 H ARG A2992 -15.363 19.478 -2.488 1.00 0.00 H new ATOM 0 HA ARG A2992 -14.115 17.876 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -16.409 17.773 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -15.903 19.421 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -17.300 19.539 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.684 17.832 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -19.557 19.181 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -18.893 18.202 0.419 1.00 0.00 H new ATOM 0 HE ARG A2992 -17.759 20.902 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -20.475 18.927 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -20.839 20.029 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -18.278 22.302 2.039 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -19.608 21.917 3.137 1.00 0.00 H new